DDBSP: UNIFAC Calculation Software

DDBSP-UNIFAC is a low-cost stand-alone package that allows to estimate activity coefficients, excess enthalpies and excess heat capacities using UNIFAC and mod. UNIFAC for systems with up to 50 components. It contains UNIFAC and mod. UNIFAC group fragmentations as well as the latest published UNIFAC and mod. UNIFAC parameters. For members of the UNIFAC Consortium, a much larger and improved set of parameters is available.

The following figure shows the main dialog of the program:

Calculation results can easily be printed or copied to the clipboard. The program documentation can be found on this page.

Scientific Papers

2015

Group Contribution Methods for Phase Equilibrium Calculations

Gmehling J., Constantinescu D., Schmid B.

Journal

Annu Rev Chem Biomol Eng. 6, 267-92 (2015).

2009

Present Status and Potential of Group Contribution Methods for Process Development

Gmehling J.

Journal

J.Chem.Thermodyn., 41, 7, 731 747 (2009)

2009

Analysis of a Concept for Predicting Missing Group Interaction Parameters of the UNIFAC Model Using Connectivity Indices

Mohs A., Jakob A., Gmehling J.

Journal

AIChE J., 55, 6, 1614 1625 (2009)

2006

Further Development of Modified UNIFAC (Dortmund): Revision and Extension 5

Jakob A., Grensemann H., Lohmann J., Gmehling J.

Journal

Ind.Eng.Chem.Res., 45, 23, 7924 7933 (2006)

2005

Systems with Ionic Liquids: Measurement of VLE and gamma-infinite Data and Prediction of their Thermodynamic Behavior using Original UNIFAC, mod. UNIFAC(Do) and COSMO-RS(Ol)

Kato R., Gmehling J.

Journal

J.Chem.Thermodyn., 37, 6, 603 619 (2005)

2005

Performance of a Conductor-Like Screening Model for Real Solvents Model in Comparison to Classical Group Contribution Methods